Geometry & MOs

Info

ID:	121827
PubChem CID:	50782956
Reduced:	FN2O5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	404.07356
ΔH_f, kcal/mol:	-227.66
Dipole, Da:	1.08
IP(EA), eV:	-8.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromobenzoyl)amino]-5-[butyl(methyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations